O1-tert-butyl O5-methyl 3-phenyl-2-pyridin-3-yl-pentanedioate

Systemtic Name: O1-tert-butyl O5-methyl 3-phenyl-2-pyridin-3-yl-pentanedioate Openeye Name: O1-tert-butyl O5-methyl 3-phenyl-2-(3-pyridyl)pentanedioate CAS Name: 3-phenyl-2-(3-pyridinyl)pentanedioic acid O1-tert-butyl ester O5-methyl ester IUPAC Name: 1-O-tert-butyl 5-O-methyl 3-phenyl-2-pyridin-3-ylpentanedioate Traditional Name: 3-phenyl-2-(3-pyridyl)glutaric acid O1-tert-butyl ester O5-methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=CN=CC=C1)C(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=CN=CC=C1)C(CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-21(2,3)26-20(24)19(16-11-8-12-22-14-16)17(13-18(23)25-4)15-9-6-5-7-10-15/h5-12,14,17,19H,13H2,1-4H3